ArticleJournal of computer-aided molecular design2018
Absolute and relative pK
Article in Journal of computer-aided molecular design, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
11 citing papers in PubMed.
- Accurate Prediction of pKb in Amines: Validation of the CAM-B3LYP/6-311+G(d,p)/SMD Model.The journal of physical chemistry. A · 2026Article
- In silico decrypting of the bystander effect in antibody-drug conjugates for breast cancer therapy.Scientific reports · 2025Article
- Theoretical Study on the Alkylimino-Substituted Sulfonamides with Potential Biological Activity.The journal of physical chemistry. B · 2023Article
- A Guide to In Silico Drug Design.Pharmaceutics · 2022Review
- Design and Synthesis of New α-hydroxy β-fluoro/β-trifluoromethyl and Unsaturated Phosphonates from Carbohydrate-Derived Building Blocks via Pudovik and Horner-Wadsworth-Emmons Reactions.Molecules (Basel, Switzerland) · 2022Article
- Improving Small Molecule pKFrontiers in chemistry · 2022Article
- Evaluation of log P, pKJournal of computer-aided molecular design · 2021Article
- Overview of the SAMPL6 pKJournal of computer-aided molecular design · 2021Article
- Quantum chemical predictions of water-octanol partition coefficients applied to the SAMPL6 logP blind challenge.Journal of computer-aided molecular design · 2020Article
- Standard state free energies, not pKJournal of computer-aided molecular design · 2020Article
- SAMPL6 logP challenge: machine learning and quantum mechanical approaches.Journal of computer-aided molecular design · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
In this work, quantum mechanical methods were used to predict the microscopic and macroscopic pK
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.